2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate

C164H162F80O81S16-16 — CID 158494217

IUPAC2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate
SMILESCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C16H11F5O5S.2C14H17F5O5S.C14H9F5O5S.C14H15F5O5S.C11H9F5O6S.C10H13F5O5S.C10H7F5O5S.C10H15F5O5S.C9H11F5O5S.C9H13F5O5S.C8H11F5O5S.2C7H9F5O5S.C6H7F5O5S.C5H5F5O5S/c17-15(18,19)14(16(20,21)27(23,24)25)26-13(22)12-8-6-11(7-9-12)10-4-2-1-3-5-10;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-8-2-6-1-7(4-8)5-9(10)3-6;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-6-5-8-3-1-2-4-9(8)7-10;1-12(2,3)9-6-4-8(5-7-9)10(20)24-11(13(15,16)17)14(18,19)25(21,22)23;1-21-7-4-2-6(3-5-7)8(17)22-9(10(12,13)14)11(15,16)23(18,19)20;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;1-2-3-4-5-6-7(16)20-8(9(11,12)13)10(14,15)21(17,18)19;10-8(11,12)7(9(13,14)20(16,17)18)19-6(15)5-3-1-2-4-5;1-2-3-4-5-6(15)19-7(8(10,11)12)9(13,14)20(16,17)18;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-3(2)4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3-4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3(12)16-4(5(7,8)9)6(10,11)17(13,14)15;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14/h1-9,14H,(H,23,24,25);7-10H,1-6H2,(H,21,22,23);6-10,12H,1-5H2,(H,21,22,23);1-7,12H,(H,21,22,23);4-7,11H,1-3H3,(H,21,22,23);2-5,9H,1H3,(H,18,19,20);6,8H,1-5H2,(H,17,18,19);1-5,8H,(H,17,18,19);8H,2-6H2,1H3,(H,17,18,19);5,7H,1-4H2,(H,16,17,18);7H,2-5H2,1H3,(H,16,17,18);4H,1-3H3,(H,15,16,17);3,5H,1-2H3,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);4H,2H2,1H3,(H,13,14,15);3H,1H3,(H,12,13,14)/p-16
InChIKeyHJBOZBVPKWALGV-UHFFFAOYSA-A
MW5461.93 g/mol
LogP33.81
Rot. Bonds72

About 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate

2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate (PubChem CID 158494217) has the molecular formula C164H162F80O81S16-16 and a molecular weight of 5461.93 g/mol. Its IUPAC name is 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate.

Molecular Properties

Compound Name2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate
PubChem CID158494217
Molecular FormulaC164H162F80O81S16-16
Molecular Weight5461.93 g/mol
Exact Mass5458.29
IUPAC Name2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate
SMILESCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C16H11F5O5S.2C14H17F5O5S.C14H9F5O5S.C14H15F5O5S.C11H9F5O6S.C10H13F5O5S.C10H7F5O5S.C10H15F5O5S.C9H11F5O5S.C9H13F5O5S.C8H11F5O5S.2C7H9F5O5S.C6H7F5O5S.C5H5F5O5S/c17-15(18,19)14(16(20,21)27(23,24)25)26-13(22)12-8-6-11(7-9-12)10-4-2-1-3-5-10;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-8-2-6-1-7(4-8)5-9(10)3-6;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-6-5-8-3-1-2-4-9(8)7-10;1-12(2,3)9-6-4-8(5-7-9)10(20)24-11(13(15,16)17)14(18,19)25(21,22)23;1-21-7-4-2-6(3-5-7)8(17)22-9(10(12,13)14)11(15,16)23(18,19)20;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;1-2-3-4-5-6-7(16)20-8(9(11,12)13)10(14,15)21(17,18)19;10-8(11,12)7(9(13,14)20(16,17)18)19-6(15)5-3-1-2-4-5;1-2-3-4-5-6(15)19-7(8(10,11)12)9(13,14)20(16,17)18;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-3(2)4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3-4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3(12)16-4(5(7,8)9)6(10,11)17(13,14)15;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14/h1-9,14H,(H,23,24,25);7-10H,1-6H2,(H,21,22,23);6-10,12H,1-5H2,(H,21,22,23);1-7,12H,(H,21,22,23);4-7,11H,1-3H3,(H,21,22,23);2-5,9H,1H3,(H,18,19,20);6,8H,1-5H2,(H,17,18,19);1-5,8H,(H,17,18,19);8H,2-6H2,1H3,(H,17,18,19);5,7H,1-4H2,(H,16,17,18);7H,2-5H2,1H3,(H,16,17,18);4H,1-3H3,(H,15,16,17);3,5H,1-2H3,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);4H,2H2,1H3,(H,13,14,15);3H,1H3,(H,12,13,14)/p-16
InChIKeyHJBOZBVPKWALGV-UHFFFAOYSA-A
XLogP33.81
TPSA1345.23 Ų
H-Bond Donors
H-Bond Acceptors81
Rotatable Bonds72
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005461.93
LogP ≤ 533.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1081

Analyze 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate?
The IUPAC name of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate (CID 158494217) is 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate.
What is the SMILES notation for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate?
The canonical SMILES for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate is CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.
What is the InChIKey of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate?
The InChIKey is HJBOZBVPKWALGV-UHFFFAOYSA-A. The full InChI is InChI=1S/C16H11F5O5S.2C14H17F5O5S.C14H9F5O5S.C14H15F5O5S.C11H9F5O6S.C10H13F5O5S.C10H7F5O5S.C10H15F5O5S.C9H11F5O5S.C9H13F5O5S.C8H11F5O5S.2C7H9F5O5S.C6H7F5O5S.C5H5F5O5S/c17-15(18,19)14(16(20,21)27(23,24)25)26-13(22)12-8-6-11(7-9-12)10-4-2-1-3-5-10;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-8-2-6-1-7(4-8)5-9(10)3-6;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-6-5-8-3-1-2-4-9(8)7-10;1-12(2,3)9-6-4-8(5-7-9)10(20)24-11(13(15,16)17)14(18,19)25(21,22)23;1-21-7-4-2-6(3-5-7)8(17)22-9(10(12,13)14)11(15,16)23(18,19)20;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;1-2-3-4-5-6-7(16)20-8(9(11,12)13)10(14,15)21(17,18)19;10-8(11,12)7(9(13,14)20(16,17)18)19-6(15)5-3-1-2-4-5;1-2-3-4-5-6(15)19-7(8(10,11)12)9(13,14)20(16,17)18;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-3(2)4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3-4(13)17-5(6(8,9)10)7(11,12)18(14,15)16;1-2-3(12)16-4(5(7,8)9)6(10,11)17(13,14)15;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14/h1-9,14H,(H,23,24,25);7-10H,1-6H2,(H,21,22,23);6-10,12H,1-5H2,(H,21,22,23);1-7,12H,(H,21,22,23);4-7,11H,1-3H3,(H,21,22,23);2-5,9H,1H3,(H,18,19,20);6,8H,1-5H2,(H,17,18,19);1-5,8H,(H,17,18,19);8H,2-6H2,1H3,(H,17,18,19);5,7H,1-4H2,(H,16,17,18);7H,2-5H2,1H3,(H,16,17,18);4H,1-3H3,(H,15,16,17);3,5H,1-2H3,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);4H,2H2,1H3,(H,13,14,15);3H,1H3,(H,12,13,14)/p-16.
What are the key properties of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate?
2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate has a molecular weight of 5461.93 g/mol, XLogP of 33.81, 72 rotatable bonds, 0 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-butanoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-heptanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-hexanoyloxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-propanoyloxypropane-1-sulfonate is sourced from PubChem (CID 158494217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).